Geometry & MOs

Info

ID:

113223

PubChem CID:

50436236

Reduced:

ClO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-127.96

Dipole, Da:

9.87

IP(EA), eV:

 -8.74(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-carbamoyl-3-chlorophenyl)-1-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations